SCHEMBL7290455

SCHEMBL7290455

COCCOCOCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.46
CPA3 P15088 2/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
REN P00797 3/20 0.45
CYP1A2 P05177 1/20 0.43
MME P08473 4/20 0.41
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
FOLH1 Q04609 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7399070 1.00 CPA1 (0.46) CPA1CPA3CPB1CPB2REN
SCHEMBL7438742 0.91 REN (0.44) CPA1CPA3CPB1CPB2REN
SCHEMBL7433358 0.90 CPA1 (0.53) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7399073 0.85 CPA1 (0.43) CPA1CPA3CPB1CPB2REN
SCHEMBL9556127 0.85 CPA1 (0.43) CPA1CPA3CPB1CPB2REN
SCHEMBL7280089 0.84 REN (0.39) RENMME
SCHEMBL7290438 0.82 CPA1 (0.44) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7436937 0.81 MME (0.41) CPA1CPA3CPB1CPB2REN
SCHEMBL10583312 0.80 SLC1A3 (0.40) RENCYP1A2MME
SCHEMBL7268450 0.79 REN (0.38) CPA1RENMMEANPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
US-5268361-A Containing amide groups SRI INTERNATIONAL (US) 1993-12-07 US disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
US-4927807-A RENIN INHIBITING AMIDES ABBOTT LABORATORIES (US) 1990-05-22 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed